3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol

C14H15F2NOS — CID 65189627

IUPAC3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NOS/c1-8-4-5-19-14(8)13(18)11(7-17)10-3-2-9(15)6-12(10)16/h2-6,11,13,18H,7,17H2,1H3
InChIKeyLKZDEDUDBOIVGR-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol

3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 65189627) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID65189627
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NOS/c1-8-4-5-19-14(8)13(18)11(7-17)10-3-2-9(15)6-12(10)16/h2-6,11,13,18H,7,17H2,1H3
InChIKeyLKZDEDUDBOIVGR-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
(4-Fluorophenyl)(2-thienyl)methanol
CID 10987480
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459
2-[1-(4-Fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 75428274
1-(3,4-Difluorophenyl)-2-(4-methylthiophen-2-yl)ethanol
CID 18969752
(4-Fluorophenyl)(3-thienyl)methanol
CID 19802560
2,2,2-Trifluoro-1-(3-phenylthiophen-2-yl)ethanol
CID 20571132
(2,4-Difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 61087353
(3,4-Difluorophenyl)(thiophen-2-yl)methanol
CID 61104574
2,2,2-Trifluoro-1-[2-(5-methyl-thiophen-3-yl)-phenyl]-ethanol
CID 66743518
(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67565866

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol (CID 65189627) is 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1C(O)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is LKZDEDUDBOIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-8-4-5-19-14(8)13(18)11(7-17)10-3-2-9(15)6-12(10)16/h2-6,11,13,18H,7,17H2,1H3.
What are the key properties of 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65189627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).